CAS RN: 1100509-34-9
4-Ethynyltetrahydro-2H-thiopyran
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250825 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250201 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260211 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20260302 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-011306
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1100509-34-9 / 4-ethynylthiane
4-ethynyltetrahydro-2H-thiopyran | 4-ETHYNYLTHIANE | MFCD23106385
Basic Information
CAS
1100509-34-9
Multi CAS
No
Molecular Formula
C7H10S
Molecular Weight
126.220000
Exact Mass
126.050321
SMILES
C#CC1CCSCC1
InChI
InChI=1S/C7H10S/c1-2-7-3-5-8-6-4-7/h1,7H,3-6H2
InChIKey
ZMSXBCFUTCAECH-UHFFFAOYSA-N
Synonyms
4-ethynyltetrahydro-2H-thiopyran
4-ETHYNYLTHIANE
MFCD23106385
4-Eethynylthiane
4-ethynyltetrahydrothiopyran
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.71
H-bond acceptors
1
Molar refractivity
38.88
TPSA
25.3000
LogP / Solubility
WLOGP
1.76
MLOGP
1.54
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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